(5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine

C14H10BrClN2O — CID 114730085

IUPAC(5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine
SMILESNC(c1cncc(Br)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H10BrClN2O/c15-10-4-9(6-18-7-10)13(17)12-5-8-2-1-3-11(16)14(8)19-12/h1-7,13H,17H2
InChIKeyJMHWYQGDJBHFLS-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.29
Rot. Bonds2

About (5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine

(5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine (PubChem CID 114730085) has the molecular formula C14H10BrClN2O and a molecular weight of 337.60 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine
PubChem CID114730085
Molecular FormulaC14H10BrClN2O
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC Name(5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine
SMILESNC(c1cncc(Br)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H10BrClN2O/c15-10-4-9(6-18-7-10)13(17)12-5-8-2-1-3-11(16)14(8)19-12/h1-7,13H,17H2
InChIKeyJMHWYQGDJBHFLS-UHFFFAOYSA-N
XLogP4.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107946844
(7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105175597
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923909
(5-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724758
[(5-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105267826
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
CID 82779597

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine (CID 114730085) is (5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine is NC(c1cncc(Br)c1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine?
The InChIKey is JMHWYQGDJBHFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O/c15-10-4-9(6-18-7-10)13(17)12-5-8-2-1-3-11(16)14(8)19-12/h1-7,13H,17H2.
What are the key properties of (5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine?
(5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine has a molecular weight of 337.60 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114730085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).